Basic information
- Standard SMILES
COc1ccc2c(Nc3c(C)cncc3C)cc(=O)[nH]c2c1OCCCCCCN1CCCCC1- InChIKey
XNJDYDLUSSNVPB-UHFFFAOYSA-N- Molecular formula
- C28H38N4O3
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.29439109
Names & identifiers
- Preferred name
- 4-(3,5-Dimethylpyridin-4-ylamino)-7-methoxy-8-(6-(piperidin-1-yl)hexyloxy)quinolin-2(1H)-one
- IUPAC
- 4-[(3,5-dimethyl-4-pyridinyl)amino]-7-methoxy-8-(6-piperidin-1-ylhexoxy)-1H-quinolin-2-one
Names & synonyms
SCHEMBL728881XNJDYDLUSSNVPB-UHFFFAOYSA-N4-(3,5-Dimethylpyridin-4-ylamino)-7-methoxy-8-(6-(piperidin-1-yl)hexyloxy)quinolin-2(1H)-one
Database identifiers
- PubChem CID
- 53344834
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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